6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile

C14H18N4 — CID 103468915

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCC3CCCCC32)c(N)c1
InChIInChI=1S/C14H18N4/c15-8-10-7-12(16)14(17-9-10)18-6-5-11-3-1-2-4-13(11)18/h7,9,11,13H,1-6,16H2
InChIKeyGPOBUGGQOUYBKG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.30
Rot. Bonds1

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile (PubChem CID 103468915) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile
PubChem CID103468915
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCC3CCCCC32)c(N)c1
InChIInChI=1S/C14H18N4/c15-8-10-7-12(16)14(17-9-10)18-6-5-11-3-1-2-4-13(11)18/h7,9,11,13H,1-6,16H2
InChIKeyGPOBUGGQOUYBKG-UHFFFAOYSA-N
XLogP2.30
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile (CID 103468915) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile is N#Cc1cnc(N2CCC3CCCCC32)c(N)c1.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile?
The InChIKey is GPOBUGGQOUYBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-8-10-7-12(16)14(17-9-10)18-6-5-11-3-1-2-4-13(11)18/h7,9,11,13H,1-6,16H2.
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile is sourced from PubChem (CID 103468915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).